Information card for entry 2217466

Structure parameters

• Chemical name: Aquabis(2-chloroacetato-κO)(1,10-phenanthroline-κ^2^N,N')copper(II)
• Formula: C16 H14 Cl2 Cu N2 O5
• Calculated formula: C16 H14 Cl2 Cu N2 O5
• SMILES: C(=O)(O[Cu]1([n]2cccc3ccc4c([n]1ccc4)c23)(OC(=O)CCl)[OH2])CCl
• Title of publication: Aquabis(2-chloroacetato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Rongdong Yang; Yanfei Li; Junshan Sun; Jikun Li; Changqing Chu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m348 - m348
• a: 8.773 ± 0.0006 Å
• b: 9.2382 ± 0.0007 Å
• c: 11.4492 ± 0.0008 Å
• α: 96.218 ± 0.001°
• β: 106.676 ± 0.001°
• γ: 97.919 ± 0.001°
• Cell volume: 869.66 ± 0.11 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes